HFSCREEN

From VASP Wiki
Revision as of 07:28, 23 May 2024 by Huebsch (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

HFSCREEN = [real]
Default: HFSCREEN = 0 (none) 

Description: HFSCREEN (in Å-1) specifies the range-separation parameter in range-separated hybrid functionals.


In case LHFCALC=.TRUE., in combination with PBE potentials (or GGA=PE), attributing a value to HFSCREEN will switch from the PBE0 functional to, e.g., the closely related HSE03 (HFSCREEN=0.3) or HSE06 (HFSCREEN=0.2) functionals. It also needs to be set for dielectric-dependent hybrid functionals (DDH) and doubly screened hybrid (DSH) functionals, see LMODELHF.

Related tags and articles

LMODELHF, AEXX, ALDAX, ALDAC, AGGAX, AGGAC, LTHOMAS, LRHFCALC, List of hybrid functionals, Hybrid functionals: formalism

Examples that use this tag